2-(2-phenylethenoxy)ethanamine

C10H13NO — CID 56997021

IUPAC2-(2-phenylethenoxy)ethanamine
SMILESNCCOC=Cc1ccccc1
InChIInChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2
InChIKeyDDNGWXFFYAVESV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-phenylethenoxy)ethanamine

2-(2-phenylethenoxy)ethanamine (PubChem CID 56997021) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(2-phenylethenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-phenylethenoxy)ethanamine
PubChem CID56997021
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-(2-phenylethenoxy)ethanamine
SMILESNCCOC=Cc1ccccc1
InChIInChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2
InChIKeyDDNGWXFFYAVESV-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenoxy)ethanamine?
The IUPAC name of 2-(2-phenylethenoxy)ethanamine (CID 56997021) is 2-(2-phenylethenoxy)ethanamine.
What is the SMILES notation for 2-(2-phenylethenoxy)ethanamine?
The canonical SMILES for 2-(2-phenylethenoxy)ethanamine is NCCOC=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenoxy)ethanamine?
The InChIKey is DDNGWXFFYAVESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-6,8H,7,9,11H2.
What are the key properties of 2-(2-phenylethenoxy)ethanamine?
2-(2-phenylethenoxy)ethanamine has a molecular weight of 163.22 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenoxy)ethanamine is sourced from PubChem (CID 56997021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).